SCHEMBL7370561

SCHEMBL7370561

Cc1ccc(-c2nn(C(C)C)c(=O)c3cccnc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
ADORA1 P30542 1/20 0.44
COMT P21964 1/20 0.44
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TACR1 P25103 4/20 0.41
RAB9A P51151 1/20 0.40
KAT2B Q92831 4/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
POLB P06746 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ATM Q13315 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7370597 0.90 L3MBTL1 (0.50) L3MBTL1ADORA1COMTMAPTALDH1A1
SCHEMBL7369331 0.86 SRC (0.46) L3MBTL1ADORA1MAPTALDH1A1KAT2B
SCHEMBL7369486 0.85 KAT2B (0.49) L3MBTL1ADORA1MAPTKAT2BPOLB
SCHEMBL7362432 0.84 MKNK1 (0.44) L3MBTL1ADORA1MAPTKAT2BPOLB
SCHEMBL7366633 0.82 NCOA1 (0.46) L3MBTL1ADORA1MAPTALDH1A1TACR1
SCHEMBL7363887 0.82 KAT2B (0.52) L3MBTL1ADORA1MAPTALDH1A1KAT2B
SCHEMBL7363890 0.80 PDE4A (0.61) ADORA1MAPTCYP2C9CYP2C19PDE4A
SCHEMBL8694519 0.80 PDE4A (0.45) L3MBTL1ADORA1MAPTALDH1A1CYP2C9
SCHEMBL7363024 0.80 KMT2A (0.50) L3MBTL1MAPTALDH1A1CYP2C19RAB9A
SCHEMBL7370618 0.79 RAB9A (0.51) L3MBTL1ADORA1MAPTALDH1A1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed